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Keyword [Abinitio]
Result: 1 - 10 | Page: 1 of 1
1.
Density Functional And Ab Initio MO Study On The Electrionic Structure And Carbonyls' Fluxionality Of The Triosmium Carbonyl Clusters
2.
The Theoretical Studies On Aromaticity Of Monocyclic Borazine Compounds
3.
Tungsten And Molybdenum Separation Of Theory And New Technology
4.
Crystal Structure Prediction And High-pressure Behavior Of Light Complex Hydrides:a First-principle Study
5.
Thermochemistry and kinetics in pyrolysis and oxidation of oxygenated chlorocarbons and chlorinated aromatics
6.
Conformational studies by infrared and Raman spectroscopy, supported by ab initio calculations, of some unsaturated organic molecules
7.
Ab initio studies on the size dependence effects of solvation structure and intracluster reaction on aluminum ion(water), magnesium ion(water) and protonated methanol cluster ions
8.
Application of molecular simulations to synthetic lubricant research
9.
Theory of electronic and structural properties of materials: Novel group-IV materials and real space methods
10.
Methods for combined ab initio/empirical forcefield molecular dynamics and ab initio studies of the azide ion in various solvents
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